5-anilino-2-fluorobenzonitrile

C13H9FN2 — CID 166901089

IUPAC5-anilino-2-fluorobenzonitrile
SMILESN#Cc1cc(Nc2ccccc2)ccc1F
InChIInChI=1S/C13H9FN2/c14-13-7-6-12(8-10(13)9-15)16-11-4-2-1-3-5-11/h1-8,16H
InChIKeyFGNMRUDRYWZDQG-UHFFFAOYSA-N
MW212.23 g/mol
LogP3.44
Rot. Bonds2

About 5-anilino-2-fluorobenzonitrile

5-anilino-2-fluorobenzonitrile (PubChem CID 166901089) has the molecular formula C13H9FN2 and a molecular weight of 212.23 g/mol. Its IUPAC name is 5-anilino-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-anilino-2-fluorobenzonitrile
PubChem CID166901089
Molecular FormulaC13H9FN2
Molecular Weight212.23 g/mol
Exact Mass212.07
IUPAC Name5-anilino-2-fluorobenzonitrile
SMILESN#Cc1cc(Nc2ccccc2)ccc1F
InChIInChI=1S/C13H9FN2/c14-13-7-6-12(8-10(13)9-15)16-11-4-2-1-3-5-11/h1-8,16H
InChIKeyFGNMRUDRYWZDQG-UHFFFAOYSA-N
XLogP3.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-amino-5-fluoroanilino)-2-fluorobenzonitrile
CID 55057774
5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile
CID 62492574
2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile
CID 125449171
5-[(2-chloro-4-pyridinyl)amino]-2-fluorobenzonitrile
CID 102824174
2-(3-cyano-4-fluoroanilino)-N-phenylacetamide
CID 62317173
2-anilino-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316865
5-(3-amino-5-methylanilino)-2-fluorobenzonitrile
CID 112647670
5-[(6-chloro-2-pyridinyl)amino]-2-fluorobenzonitrile
CID 63587476
5-(4-bromo-2-cyanoanilino)-2-fluorobenzonitrile
CID 114890634
5-(ethylamino)-2-fluorobenzonitrile
CID 62316083
2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 62318189
5-(2-amino-4-fluoroanilino)-2-fluorobenzonitrile
CID 62318209

Frequently Asked Questions

What is the IUPAC name of 5-anilino-2-fluorobenzonitrile?
The IUPAC name of 5-anilino-2-fluorobenzonitrile (CID 166901089) is 5-anilino-2-fluorobenzonitrile.
What is the SMILES notation for 5-anilino-2-fluorobenzonitrile?
The canonical SMILES for 5-anilino-2-fluorobenzonitrile is N#Cc1cc(Nc2ccccc2)ccc1F.
What is the InChIKey of 5-anilino-2-fluorobenzonitrile?
The InChIKey is FGNMRUDRYWZDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2/c14-13-7-6-12(8-10(13)9-15)16-11-4-2-1-3-5-11/h1-8,16H.
What are the key properties of 5-anilino-2-fluorobenzonitrile?
5-anilino-2-fluorobenzonitrile has a molecular weight of 212.23 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-2-fluorobenzonitrile is sourced from PubChem (CID 166901089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).